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The Kokkos based library Cabana, which has been developed in the Co-design Center for Particle Applications (CoPA), is used for the implementation of Multi-Particle Collision Dynamics (MPCD), a particle-based description of hydrodynamic…
Empirical Dynamic Modeling (EDM) is a state-of-the-art non-linear time-series analysis framework. Despite its wide applicability, EDM was not scalable to large datasets due to its expensive computational cost. To overcome this obstacle,…
Monte Carlo / Dynamic Code (MC/DC) is a portable Monte Carlo neutron transport package for rapid numerical methods exploration in heterogeneous and HPC contexts, developed under the auspices of the Center for Exascale Monte Carlo Neutron…
Heterogeneous systems are becoming more common on High Performance Computing (HPC) systems. Even using tools like CUDA and OpenCL it is a non-trivial task to obtain optimal performance on the GPU. Approaches to simplifying this task include…
The expanding hardware diversity in high performance computing adds enormous complexity to scientific software development. Developers who aim to write maintainable software have two options: 1) To use a so-called data locality abstraction…
This work discusses the performance of a modern numerical scheme for fluid dynamical problems on modern high-performance computing architectures. Our code implements a spatial nodal discontinuous Galerkin scheme that we test up to an order…
Modern compute nodes in high-performance computing provide a tremendous level of parallelism and processing power. However, as arithmetic performance has been observed to increase at a faster rate relative to memory and network bandwidths,…
We evaluate the use of the open-source Llama-2 model for generating well-known, high-performance computing kernels (e.g., AXPY, GEMV, GEMM) on different parallel programming models and languages (e.g., C++: OpenMP, OpenMP Offload, OpenACC,…
Matrix multiplication is a foundational operation in scientific computing and machine learning, yet its computational complexity makes it a significant bottleneck for large-scale applications. The shift to parallel architectures, primarily…
Multiphase turbulent flow phenomena are observed not only in industrial devices but also in environmental flows, and direct numerical simulation (DNS) plays a key role in their investigation. Many numerical models have been developed;…
GROMACS is a widely-used molecular dynamics software package with a focus on performance, portability, and maintainability across a broad range of platforms. Thanks to its early algorithmic redesign and flexible heterogeneous…
We propose a simulation-based approach for performance modeling of parallel applications on high-performance computing platforms. Our approach enables full-system performance modeling: (1) the hardware platform is represented by an abstract…
Today, one of the main challenges for high-performance computing systems is to improve their performance by keeping energy consumption at acceptable levels. In this context, a consolidated strategy consists of using accelerators such as…
The development of the A64FX processor by Fujitsu has created a massive innovation in High-Performance Computing and the birth of Fugaku: the current world's fastest supercomputer. A variety of tools are used to analyze the run-times and…
We present the results of a comprehensive benchmarking effort aimed at evaluating and comparing state-of-the-art open-source tools for solving the Alternating-Current Optimal Power Flow (ACOPF) problem. Our numerical experiments include all…
Due to the recent announcement of the Frontier supercomputer, many scientific application developers are working to make their applications compatible with AMD architectures (CPU-GPU), which means moving away from the traditional CPU and…
CUDA and OpenCL are two different frameworks for GPU programming. OpenCL is an open standard that can be used to program CPUs, GPUs, and other devices from different vendors, while CUDA is specific to NVIDIA GPUs. Although OpenCL promises a…
Finite-difference methods based on high-order stencils are widely used in seismic simulations, weather forecasting, computational fluid dynamics, and other scientific applications. Achieving HPC-level stencil computations on one…
CUDA is one of the most popular choices for GPU programming, but it can only be executed on NVIDIA GPUs. Executing CUDA on non-NVIDIA devices not only benefits the hardware community, but also allows data-parallel computation in…
Finely tuning MPI applications and understanding the influence of keyparameters (number of processes, granularity, collective operationalgorithms, virtual topology, and process placement) is critical toobtain good performance on…